[(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]-(thiophen-3-ylmethyl)azanium

Systemtic Name: [(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]-(thiophen-3-ylmethyl)azanium Openeye Name: [(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]-(3-thienylmethyl)ammonium CAS Name: [(1S)-1-[1-(4-methoxyphenyl)-5-methyl-4-pyrazolyl]ethyl]-(3-thiophenylmethyl)ammonium IUPAC Name: [(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-(thiophen-3-ylmethyl)azanium Traditional Name: [(1S)-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]-(3-thenyl)ammonium Formula: C18H22N3OS+ MolecularWeight: 328.45178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)OC)C(C)[NH2+]CC3=CSC=C3

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)OC)[C@H](C)[NH2+]CC3=CSC=C3

InChI

InChI=1S/C18H21N3OS/c1-13(19-10-15-8-9-23-12-15)18-11-20-21(14(18)2)16-4-6-17(22-3)7-5-16/h4-9,11-13,19H,10H2,1-3H3/p+1/t13-/m0/s1